(2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;(2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;3-(2-methylphenyl)-6-N-[(3R)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;3-(2-methylphenyl)-6-N-[(3S)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide

C118H116F6N26O4 — CID 158636123

IUPAC(2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;(2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;3-(2-methylphenyl)-6-N-[(3R)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;3-(2-methylphenyl)-6-N-[(3S)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCc1ccccc1-c1cc2cc(NC(=O)C3C[C@@H]3C(F)(F)F)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)C3C[C@@H]3C)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C(F)(F)F)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(N[C@@H]3CCNC3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(N[C@H]3CCNC3)ncc2c(N)n1
InChIInChI=1S/2C20H17F3N4O.2C20H20N4O.2C19H21N5/c2*1-10-4-2-3-5-12(10)16-6-11-7-17(25-9-14(11)18(24)26-16)27-19(28)13-8-15(13)20(21,22)23;2*1-11-5-3-4-6-14(11)17-8-13-9-18(22-10-16(13)19(21)23-17)24-20(25)15-7-12(15)2;2*1-12-4-2-3-5-15(12)17-8-13-9-18(23-14-6-7-21-10-14)22-11-16(13)19(20)24-17/h2*2-7,9,13,15H,8H2,1H3,(H2,24,26)(H,25,27,28);2*3-6,8-10,12,15H,7H2,1-2H3,(H2,21,23)(H,22,24,25);2*2-5,8-9,11,14,21H,6-7,10H2,1H3,(H2,20,24)(H,22,23)/t13?,15-;13-,15-;12-,15?;12-,15-;2*14-/m010110/s1
InChIKeyHZUGZDCHKHXVTB-ZKLDRJRRSA-N
MW2076.39 g/mol
LogP22.13
Rot. Bonds18

About (2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;(2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;3-(2-methylphenyl)-6-N-[(3R)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;3-(2-methylphenyl)-6-N-[(3S)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide

(2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;(2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;3-(2-methylphenyl)-6-N-[(3R)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;3-(2-methylphenyl)-6-N-[(3S)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 158636123) has the molecular formula C118H116F6N26O4 and a molecular weight of 2076.39 g/mol. Its IUPAC name is (2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;(2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;3-(2-methylphenyl)-6-N-[(3R)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;3-(2-methylphenyl)-6-N-[(3S)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;(2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;3-(2-methylphenyl)-6-N-[(3R)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;3-(2-methylphenyl)-6-N-[(3S)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID158636123
Molecular FormulaC118H116F6N26O4
Molecular Weight2076.39 g/mol
Exact Mass2074.96
IUPAC Name(2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;(2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;3-(2-methylphenyl)-6-N-[(3R)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;3-(2-methylphenyl)-6-N-[(3S)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCc1ccccc1-c1cc2cc(NC(=O)C3C[C@@H]3C(F)(F)F)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)C3C[C@@H]3C)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C(F)(F)F)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(N[C@@H]3CCNC3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(N[C@H]3CCNC3)ncc2c(N)n1
InChIInChI=1S/2C20H17F3N4O.2C20H20N4O.2C19H21N5/c2*1-10-4-2-3-5-12(10)16-6-11-7-17(25-9-14(11)18(24)26-16)27-19(28)13-8-15(13)20(21,22)23;2*1-11-5-3-4-6-14(11)17-8-13-9-18(22-10-16(13)19(21)23-17)24-20(25)15-7-12(15)2;2*1-12-4-2-3-5-15(12)17-8-13-9-18(23-14-6-7-21-10-14)22-11-16(13)19(20)24-17/h2*2-7,9,13,15H,8H2,1H3,(H2,24,26)(H,25,27,28);2*3-6,8-10,12,15H,7H2,1-2H3,(H2,21,23)(H,22,24,25);2*2-5,8-9,11,14,21H,6-7,10H2,1H3,(H2,20,24)(H,22,23)/t13?,15-;13-,15-;12-,15?;12-,15-;2*14-/m010110/s1
InChIKeyHZUGZDCHKHXVTB-ZKLDRJRRSA-N
XLogP22.13
TPSA475.32 Ų
H-Bond Donors14
H-Bond Acceptors26
Rotatable Bonds18
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002076.39
LogP ≤ 522.13
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1026

Analyze (2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;(2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;3-(2-methylphenyl)-6-N-[(3R)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;3-(2-methylphenyl)-6-N-[(3S)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;(2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;3-(2-methylphenyl)-6-N-[(3R)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;3-(2-methylphenyl)-6-N-[(3S)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of (2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;(2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;3-(2-methylphenyl)-6-N-[(3R)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;3-(2-methylphenyl)-6-N-[(3S)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide (CID 158636123) is (2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;(2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;3-(2-methylphenyl)-6-N-[(3R)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;3-(2-methylphenyl)-6-N-[(3S)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for (2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;(2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;3-(2-methylphenyl)-6-N-[(3R)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;3-(2-methylphenyl)-6-N-[(3S)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for (2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;(2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;3-(2-methylphenyl)-6-N-[(3R)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;3-(2-methylphenyl)-6-N-[(3S)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide is Cc1ccccc1-c1cc2cc(NC(=O)C3C[C@@H]3C(F)(F)F)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)C3C[C@@H]3C)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C(F)(F)F)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(N[C@@H]3CCNC3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(N[C@H]3CCNC3)ncc2c(N)n1.
What is the InChIKey of (2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;(2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;3-(2-methylphenyl)-6-N-[(3R)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;3-(2-methylphenyl)-6-N-[(3S)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is HZUGZDCHKHXVTB-ZKLDRJRRSA-N. The full InChI is InChI=1S/2C20H17F3N4O.2C20H20N4O.2C19H21N5/c2*1-10-4-2-3-5-12(10)16-6-11-7-17(25-9-14(11)18(24)26-16)27-19(28)13-8-15(13)20(21,22)23;2*1-11-5-3-4-6-14(11)17-8-13-9-18(22-10-16(13)19(21)23-17)24-20(25)15-7-12(15)2;2*1-12-4-2-3-5-15(12)17-8-13-9-18(23-14-6-7-21-10-14)22-11-16(13)19(20)24-17/h2*2-7,9,13,15H,8H2,1H3,(H2,24,26)(H,25,27,28);2*3-6,8-10,12,15H,7H2,1-2H3,(H2,21,23)(H,22,24,25);2*2-5,8-9,11,14,21H,6-7,10H2,1H3,(H2,20,24)(H,22,23)/t13?,15-;13-,15-;12-,15?;12-,15-;2*14-/m010110/s1.
What are the key properties of (2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;(2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;3-(2-methylphenyl)-6-N-[(3R)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;3-(2-methylphenyl)-6-N-[(3S)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
(2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;(2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;3-(2-methylphenyl)-6-N-[(3R)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;3-(2-methylphenyl)-6-N-[(3S)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 2076.39 g/mol, XLogP of 22.13, 18 rotatable bonds, 14 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;(2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;3-(2-methylphenyl)-6-N-[(3R)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;3-(2-methylphenyl)-6-N-[(3S)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 158636123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).